Title of article :
Some remarks on multi-center bond index
Author/Authors :
Sannigrahi، نويسنده , , A.B. and Kar، نويسنده , , Tapas، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1999
Abstract :
The basic mathematical structure and the inherent limitations of the bond index model are critically examined. It is then compared with a similar model where the bonding indices are defined in terms of multi-center effective pair populations derived from pair densities. The two models, although they differ in the basic approach, are shown to be equivalent for bond indices of even rank deduced from an RHF wavefunction.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters